{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3415884 -1.3811567 -1.7728243 ] [ 2.7344018 0.95964 1.0969211 ] [ -0.5825676 -0.0780839 1.631194 ] [ -0.5245106 -0.9330394 0.3621711 ] [ -0.5111087 4.1265241 3.6715268 ] [ -3.0712449 -0.581487 -1.7856931 ] [ 2.2966185 -2.112397 -3.2032956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.472849484164788e-10 -2.21285697440128e-09 -2.840377646246125e-09 ] [ 4.380994635833437e-09 1.537512772384512e-09 1.757461341282219e-09 ] [ -9.33376188755566e-10 -1.251041990408851e-10 2.613460890789236e-09 ] [ -8.403586206817805e-10 -1.49489391296526e-09 5.802620691494189e-10 ] [ -8.188864098274809e-10 6.611420438187762e-09 5.882434401600637e-09 ] [ -4.920676775531233e-09 -9.316448766991295e-10 -2.860995736743876e-09 ] [ 3.679588467596765e-09 -3.384433087248058e-09 -5.132245319831508e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.725988 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.878710382938135e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8552439 2.3246521 0.7069082 ] [ 1.8852499 1.3774553 4.4060993 ] [ 2.1538071 2.8934865 2.8177864 ] [ 5.0378136 0.2331795 2.8358868 ] [ 5.5428199 2.3016465 2.2539398 ] [ 3.3620874 -0.2419785 4.1925199 ] [ 4.1295692 3.8988333 2.8347226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8552439e-10 2.3246521e-10 7.069082e-11 ] [ 1.8852499e-10 1.3774553e-10 4.4060993e-10 ] [ 2.1538071e-10 2.8934865e-10 2.8177864e-10 ] [ 5.0378136e-10 2.331795e-11 2.8358868e-10 ] [ 5.542819899999999e-10 2.3016465e-10 2.2539398e-10 ] [ 3.3620874e-10 -2.419785e-11 4.1925199e-10 ] [ 4.1295692e-10 3.898833300000001e-10 2.8347226e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3869469 0.0942966 -0.1203562 ] [ -0.4314666 0.3328362 -0.0831807 ] [ -0.0309632 0.0708469 0.1349653 ] [ 0.0633734 0.1106437 0.2086556 ] [ -0.0874631 -0.0405598 0.3158962 ] [ 0.5867434 -0.344239 -0.2133261 ] [ 0.2867229 -0.2238245 -0.2426542 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.199572766710356e-10 1.510798079409293e-10 -1.92831889808329e-10 ] [ -6.912856991760652e-10 5.33262378195913e-10 -1.332701728417786e-10 ] [ -4.960851514515456e-11 1.135092468361555e-10 2.162382482792583e-10 ] [ 1.015353798606067e-10 1.772707493788089e-10 3.343031241189965e-10 ] [ -1.401313340026925e-10 -6.498396330432384e-11 5.06121506239561e-10 ] [ 9.400665578887028e-10 -5.515316777675713e-10 -3.417860900264429e-10 ] [ 4.593807270279764e-10 -3.586063810622496e-10 -3.887748861789273e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.150232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.587552413089603e-18 } }